6-propan-2-yl-2,3-dihydrochromen-4-one

C12H14O2 — CID 11789993

IUPAC6-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMLPVSWHFLUXLDB-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.78
Rot. Bonds1

About 6-propan-2-yl-2,3-dihydrochromen-4-one

6-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 11789993) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID11789993
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)c1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMLPVSWHFLUXLDB-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-propan-2-yl-2,3-dihydrochromen-4-one (CID 11789993) is 6-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-propan-2-yl-2,3-dihydrochromen-4-one is CC(C)c1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 6-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is MLPVSWHFLUXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3-dihydrochromen-4-one?
6-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 190.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11789993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).